OpenRaiser/Intern-Atlas huggingface dataset:
MDM: Molecular Diffusion Model for 3D Molecule Generation
Venue: arXiv cs.LG 2022
Year: 2022

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from unsatisfactory performances, especially when generating large molecules. At the same time, the generated molecules lack enough diversity. This paper proposes a novel diffusion model to address those two challenges. First, interatomic relations are not in molecules' 3D point cloud representations. Thus, it is difficult for existing generative models to capture the potential interatomic forces and abundant local constraints. To tackle this challenge, we propose to augment the potential interatomic forces and further involve dual equivariant encoders to encode interatomic forces of different strengths. Second, existing diffusion-based models essentially shift elements in geometry along the gradient of data density. Such a process lacks enough exploration in the intermediate steps of the Langevin dynamics. To address this issue, we introduce a distributional controlling variable in each diffusion/reverse step to enforce thorough explorations and further improve generation diversity. Extensive experiments on multiple benchmarks demonstrate that the proposed model significantly outperforms existing methods for both unconditional and conditional generation tasks. We also conduct case studies to help understand the physicochemical properties of the generated molecules.
Improving Information Freshness via Backbone-Assisted Cooperative Access Points
Venue: arXiv cs.NI 2022
Year: 2022

Information freshness, characterized by age of information (AoI), is important for sensor applications involving timely status updates. In many cases, the wireless signals from one sensor can be received by multiple access points (APs). This paper investigates the average AoI for cooperative APs, in which they can share information through a wired backbone network. We first study a basic backbone-assisted COoperative AP (Co-AP) system where APs share only decoded packets. Experimental results on software-defined radios (SDR) indicate that Co-AP significantly improves the average AoI performance over a single-AP system. Next, we investigate an improved Co-AP system, called Soft-Co-AP. In addition to sharing decoded packets, Soft-Co-AP shares and collects soft information of packets that the APs fail to decode for further joint decoding. A critical issue in Soft-Co-AP is determining the number of quantization bits that represent the soft information (each soft bit) shared over the backbone. While more quantization bits per soft bit improves the joint decoding performance, it leads to higher backbone delay. We experimentally study the average AoI of Soft-Co-AP by evaluating the tradeoff between the backbone delay and the number of quantization bits. SDR experiments show that when the number of sensors is large, Soft-Co-AP further reduces the average AoI by 12% compared with Co-AP. Interestingly, good average AoI performance is usually achieved when the number of quantization bits per soft bit is neither too large nor too small.
A Guide to Employ Hyperspectral Imaging for Assessing Wheat Quality at Different Stages of Supply Chain in Australia: A Review
Venue: arXiv cs.CV 2022
Year: 2022

Wheat is one of the major staple crops across the globe. Therefore, it is mandatory to measure, maintain and improve the wheat quality for human consumption. Traditional wheat quality measurement methods are mostly invasive, destructive and limited to small samples of wheat. In a typical supply chain of wheat, there are many receival points where bulk wheat arrives, gets stored and forwarded as per the requirements. In this receival points, the application of traditional quality measurement methods is difficult and often very expensive. Therefore, there is a need for non-invasive, non-destructive real-time methods for wheat quality assessments. One such method that fulfils the above-mentioned criteria is hyperspectral imaging (HSI) for food quality measurement and it can also be applied to bulk samples. In this paper, we have investigated how HSI has been used in the literature for assessing stored wheat quality. So that the required information to implement real-time digital quality assessment methods at the different stages of Australian supply chain can be made available in a single and compact document.
A virtual reality-based method for examining audiovisual prosody perception
Venue: arXiv cs.CL 2022
Year: 2022

Prosody plays a vital role in verbal communication. Acoustic cues of prosody have been examined extensively. However, prosodic characteristics are not only perceived auditorily, but also visually based on head and facial movements. The purpose of this report is to present a method for examining audiovisual prosody using virtual reality. We show that animations based on a virtual human provide motion cues similar to those obtained from video recordings of a real talker. The use of virtual reality opens up new avenues for examining multimodal effects of verbal communication. We discuss the method in the framework of examining prosody perception in cochlear implant listeners.
Self-supervised motion descriptor for cardiac phase detection in 4D CMR based on discrete vector field estimations
Venue: arXiv cs.CV 2022
Year: 2022

Cardiac magnetic resonance (CMR) sequences visualise the cardiac function voxel-wise over time. Simultaneously, deep learning-based deformable image registration is able to estimate discrete vector fields which warp one time step of a CMR sequence to the following in a self-supervised manner. However, despite the rich source of information included in these 3D+t vector fields, a standardised interpretation is challenging and the clinical applications remain limited so far. In this work, we show how to efficiently use a deformable vector field to describe the underlying dynamic process of a cardiac cycle in form of a derived 1D motion descriptor. Additionally, based on the expected cardiovascular physiological properties of a contracting or relaxing ventricle, we define a set of rules that enables the identification of five cardiovascular phases including the end-systole (ES) and end-diastole (ED) without the usage of labels. We evaluate the plausibility of the motion descriptor on two challenging multi-disease, -center, -scanner short-axis CMR datasets. First, by reporting quantitative measures such as the periodic frame difference for the extracted phases. Second, by comparing qualitatively the general pattern when we temporally resample and align the motion descriptors of all instances across both datasets. The average periodic frame difference for the ED, ES key phases of our approach is $0.80\pm{0.85}$, $0.69\pm{0.79}$ which is slightly better than the inter-observer variability ($1.07\pm{0.86}$, $0.91\pm{1.6}$) and the supervised baseline method ($1.18\pm{1.91}$, $1.21\pm{1.78}$). Code and labels will be made available on our GitHub repository. https://github.com/Cardio-AI/cmr-phase-detection
Document Image Binarization in JPEG Compressed Domain using Dual Discriminator Generative Adversarial Networks
Venue: arXiv cs.CV 2022
Year: 2022

Image binarization techniques are being popularly used in enhancement of noisy and/or degraded images catering different Document Image Anlaysis (DIA) applications like word spotting, document retrieval, and OCR. Most of the existing techniques focus on feeding pixel images into the Convolution Neural Networks to accomplish document binarization, which may not produce effective results when working with compressed images that need to be processed without full decompression. Therefore in this research paper, the idea of document image binarization directly using JPEG compressed stream of document images is proposed by employing Dual Discriminator Generative Adversarial Networks (DD-GANs). Here the two discriminator networks - Global and Local work on different image ratios and use focal loss as generator loss. The proposed model has been thoroughly tested with different versions of DIBCO dataset having challenges like holes, erased or smudged ink, dust, and misplaced fibres. The model proved to be highly robust, efficient both in terms of time and space complexities, and also resulted in state-of-the-art performance in JPEG compressed domain.
Data-Driven Compressed Sensing for Massive Wireless Access
Venue: arXiv cs.IT 2022
Year: 2022

The central challenge in massive machine-type communications (mMTC) is to connect a large number of uncoordinated devices through a limited spectrum. The typical mMTC communication pattern is sporadic, with short packets. This could be exploited in grant-free random access in which the activity detection, channel estimation, and data recovery are formulated as a sparse recovery problem and solved via compressed sensing algorithms. This approach results in new challenges in terms of high computational complexity and latency. We present how data-driven methods can be applied in grant-free random access and demonstrate the performance gains. Variations of neural networks for the problem are discussed, as well as future challenges and potential directions.
Radar Odometry on SE(3) with Constant Acceleration Motion Prior and Polar Measurement Model
Venue: arXiv cs.RO 2022
Year: 2022

This paper presents an approach to radar odometry on $SE(3)$ which utilizes a constant acceleration motion prior. The motion prior is integrated into a sliding window optimization scheme. We use the Magnus expansion to accurately integrate the motion prior while maintaining real-time performance. In addition, we adopt a polar measurement model to better represent radar detection uncertainties. Our estimator is evaluated using a large real-world dataset from a prototype high-resolution radar sensor. The new motion prior and measurement model signifcantly improve odometry performance relative to the constant velocity motion prior and Cartesian measurement model from our previous work, particularly in roll, pitch and height.
Design of Negative Sampling Strategies for Distantly Supervised Skill Extraction
Venue: arXiv cs.CL 2022
Year: 2022

Skills play a central role in the job market and many human resources (HR) processes. In the wake of other digital experiences, today's online job market has candidates expecting to see the right opportunities based on their skill set. Similarly, enterprises increasingly need to use data to guarantee that the skills within their workforce remain future-proof. However, structured information about skills is often missing, and processes building on self- or manager-assessment have shown to struggle with issues around adoption, completeness, and freshness of the resulting data. Extracting skills is a highly challenging task, given the many thousands of possible skill labels mentioned either explicitly or merely described implicitly and the lack of finely annotated training corpora. Previous work on skill extraction overly simplifies the task to an explicit entity detection task or builds on manually annotated training data that would be infeasible if applied to a complete vocabulary of skills. We propose an end-to-end system for skill extraction, based on distant supervision through literal matching. We propose and evaluate several negative sampling strategies, tuned on a small validation dataset, to improve the generalization of skill extraction towards implicitly mentioned skills, despite the lack of such implicit skills in the distantly supervised data. We observe that using the ESCO taxonomy to select negative examples from related skills yields the biggest improvements, and combining three different strategies in one model further increases the performance, up to 8 percentage points in RP@5. We introduce a manually annotated evaluation benchmark for skill extraction based on the ESCO taxonomy, on which we validate our models. We release the benchmark dataset for research purposes to stimulate further research on the task.
4G 5G Cell-level Multi-indicator Forecasting based on Dense-MLP
Venue: arXiv cs.NI 2022
Year: 2022

With the development of 4G/5G, the rapid growth of traffic has caused a large number of cell indicators to exceed the warning threshold, and network quality has deteriorated. It is necessary for operators to solve the congestion in advance and effectively to guarantee the quality of user experience. Cell-level multi-indicator forecasting is the foundation task for proactive complex network optimization. In this paper, we propose the 4G/5G Cell-level multi-indicator forecasting method based on the dense-Multi-Layer Perceptron (MLP) neural network, which adds additional fully-connected layers between non-adjacent layers in an MLP network. The model forecasted the following week's traffic indicators of 13000 cells according to the six-month historical indicators of 65000 cells in the 4G&5G network, which got the highest weighted MAPE score (0.2484) in the China Mobile problem statement in the ITU-T AI/ML in 5G Challenge 2021. Furthermore, the proposed model has been integrated into the AsiaInfo 4G/5G energy-saving system and deployed in Jiangsu Province of China.
SeRP: Self-Supervised Representation Learning Using Perturbed Point Clouds
Venue: arXiv cs.CV 2022
Year: 2022

We present SeRP, a framework for Self-Supervised Learning of 3D point clouds. SeRP consists of encoder-decoder architecture that takes perturbed or corrupted point clouds as inputs and aims to reconstruct the original point cloud without corruption. The encoder learns the high-level latent representations of the points clouds in a low-dimensional subspace and recovers the original structure. In this work, we have used Transformers and PointNet-based Autoencoders. The proposed framework also addresses some of the limitations of Transformers-based Masked Autoencoders which are prone to leakage of location information and uneven information density. We trained our models on the complete ShapeNet dataset and evaluated them on ModelNet40 as a downstream classification task. We have shown that the pretrained models achieved 0.5-1% higher classification accuracies than the networks trained from scratch. Furthermore, we also proposed VASP: Vector-Quantized Autoencoder for Self-supervised Representation Learning for Point Clouds that employs Vector-Quantization for discrete representation learning for Transformer-based autoencoders.
Acoustic-Linguistic Features for Modeling Neurological Task Score in Alzheimer's
Venue: arXiv cs.CE 2022
Year: 2022

The average life expectancy is increasing globally due to advancements in medical technology, preventive health care, and a growing emphasis on gerontological health. Therefore, developing technologies that detect and track aging-associated disease in cognitive function among older adult populations is imperative. In particular, research related to automatic detection and evaluation of Alzheimer's disease (AD) is critical given the disease's prevalence and the cost of current methods. As AD impacts the acoustics of speech and vocabulary, natural language processing and machine learning provide promising techniques for reliably detecting AD. We compare and contrast the performance of ten linear regression models for predicting Mini-Mental Status Exam scores on the ADReSS challenge dataset. We extracted 13000+ handcrafted and learned features that capture linguistic and acoustic phenomena. Using a subset of 54 top features selected by two methods: (1) recursive elimination and (2) correlation scores, we outperform a state-of-the-art baseline for the same task. Upon scoring and evaluating the statistical significance of each of the selected subset of features for each model, we find that, for the given task, handcrafted linguistic features are more significant than acoustic and learned features.
Strategic investments in multi-stage General Lotto games
Venue: arXiv cs.GT 2022
Year: 2022

In adversarial interactions, one is often required to make strategic decisions over multiple periods of time, wherein decisions made earlier impact a player's competitive standing as well as how choices are made in later stages. In this paper, we study such scenarios in the context of General Lotto games, which models the competitive allocation of resources over multiple battlefields between two players. We propose a two-stage formulation where one of the players has reserved resources that can be strategically pre-allocated across the battlefields in the first stage. The pre-allocation then becomes binding and is revealed to the other player. In the second stage, the players engage by simultaneously allocating their real-time resources against each other. The main contribution in this paper provides complete characterizations of equilibrium payoffs in the two-stage game, revealing the interplay between performance and the amount of resources expended in each stage of the game. We find that real-time resources are at least twice as effective as pre-allocated resources. We then determine the player's optimal investment when there are linear costs associated with purchasing each type of resource before play begins, and there is a limited monetary budget.
Approaching Digital Humanities at the University: a Cultural Challenge
Venue: arXiv cs.DL 2022
Year: 2022

The University of Bologna has a long tradition in Digital Humanities, both at the level of research and teaching. In this article, we want to introduce some experiences in developing new educational models based on the idea of transversal learning, collaborative approaches and projects-oriented outputs, together with the definition of research fields within this vast domain, accompanied by practical examples. The creation of an international master's degree (DHDK), a PhD (CHeDE) and a research centre (/DH.arc) are the results of refining our notion of Digital Humanities in a new bidirectional way: to reflect on computational methodologies and models in the cultural sphere and to suggest a cultural approach to Informatics.
Quantifying the Online Long-Term Interest in Research
Venue: arXiv cs.DL 2022
Year: 2022

Research articles are being shared in increasing numbers on multiple online platforms. Although the scholarly impact of these articles has been widely studied, the online interest determined by how long the research articles are shared online remains unclear. Being cognizant of how long a research article is mentioned online could be valuable information to the researchers. In this paper, we analyzed multiple social media platforms on which users share and/or discuss scholarly articles. We built three clusters for papers, based on the number of yearly online mentions having publication dates ranging from the year 1920 to 2016. Using the online social media metrics for each of these three clusters, we built machine learning models to predict the long-term online interest in research articles. We addressed the prediction task with two different approaches: regression and classification. For the regression approach, the Multi-Layer Perceptron model performed best, and for the classification approach, the tree-based models performed better than other models. We found that old articles are most evident in the contexts of economics and industry (i.e., patents). In contrast, recently published articles are most evident in research platforms (i.e., Mendeley) followed by social media platforms (i.e., Twitter).
Multiple View Performers for Shape Completion
Venue: arXiv cs.CV 2022
Year: 2022

We propose the Multiple View Performer (MVP) - a new architecture for 3D shape completion from a series of temporally sequential views. MVP accomplishes this task by using linear-attention Transformers called Performers. Our model allows the current observation of the scene to attend to the previous ones for more accurate infilling. The history of past observations is compressed via the compact associative memory approximating modern continuous Hopfield memory, but crucially of size independent from the history length. We compare our model with several baselines for shape completion over time, demonstrating the generalization gains that MVP provides. To the best of our knowledge, MVP is the first multiple view voxel reconstruction method that does not require registration of multiple depth views and the first causal Transformer based model for 3D shape completion.
Algorithmic (Semi-)Conjugacy via Koopman Operator Theory
Venue: arXiv cs.DS 2022
Year: 2022

Iterative algorithms are of utmost importance in decision and control. With an ever growing number of algorithms being developed, distributed, and proprietarized, there is a similarly growing need for methods that can provide classification and comparison. By viewing iterative algorithms as discrete-time dynamical systems, we leverage Koopman operator theory to identify (semi-)conjugacies between algorithms using their spectral properties. This provides a general framework with which to classify and compare algorithms.
ImageArg: A Multi-modal Tweet Dataset for Image Persuasiveness Mining
Venue: arXiv cs.CL 2022
Year: 2022

The growing interest in developing corpora of persuasive texts has promoted applications in automated systems, e.g., debating and essay scoring systems; however, there is little prior work mining image persuasiveness from an argumentative perspective. To expand persuasiveness mining into a multi-modal realm, we present a multi-modal dataset, ImageArg, consisting of annotations of image persuasiveness in tweets. The annotations are based on a persuasion taxonomy we developed to explore image functionalities and the means of persuasion. We benchmark image persuasiveness tasks on ImageArg using widely-used multi-modal learning methods. The experimental results show that our dataset offers a useful resource for this rich and challenging topic, and there is ample room for modeling improvement.
Performance Evaluation of Parallel Algorithms
Venue: arXiv cs.DC 2022
Year: 2022

Evaluating how well a whole system or set of subsystems performs is one of the primary objectives of performance testing. We can tell via performance assessment if the architecture implementation meets the design objectives. Performance evaluations of several parallel algorithms are compared in this study. Both theoretical and experimental methods are used in performance assessment as a subdiscipline in computer science. The parallel method outperforms its sequential counterpart in terms of throughput. The parallel algorithm's performance (speedup) is examined, as shown in the result.
Prediction Intervals and Confidence Regions for Symbolic Regression Models based on Likelihood Profiles
Venue: arXiv cs.LG 2022
Year: 2022

Symbolic regression is a nonlinear regression method which is commonly performed by an evolutionary computation method such as genetic programming. Quantification of uncertainty of regression models is important for the interpretation of models and for decision making. The linear approximation and so-called likelihood profiles are well-known possibilities for the calculation of confidence and prediction intervals for nonlinear regression models. These simple and effective techniques have been completely ignored so far in the genetic programming literature. In this work we describe the calculation of likelihood profiles in details and also provide some illustrative examples with models created with three different symbolic regression algorithms on two different datasets. The examples highlight the importance of the likelihood profiles to understand the limitations of symbolic regression models and to help the user taking an informed post-prediction decision.